Glycoside
GD122418
Name:
2-{1,2-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yl}-3-hydroxy-2H,3H,7H-furo[3,2-g]chromen-7-oneFormula:
C20H24O11Smiles:
CC(O)(C(O)C1OC(CO)C(O)C(O)C1O)C1Oc2cc3oc(=O)ccc3cc2C1OAglycone:
CC(O)(CO)C1Oc2cc3oc(=O)ccc3cc2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.4 | Num_heavy_atoms: | 31 |
| TPSA: | 190.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD49327
Formula: C14H14O6
Smiles:
CC(O)(CO)C1Oc2cc3oc(=O)ccc3cc2C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.26 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
